CFam Chemical Families Database
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You are searching for "CFAMM00157198" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00157198
Family CFFCD421 Substance-P receptor Ligand Ezlopitant Family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID 57167848 External Source PubChem
PubChem CID 57167848 Functional Category Patent Compound
Molecule Name AGN-PC-0BOQAC
IUPAC Name 116-benzhydryl-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[112.2.2]octadecahectan-115-amine
Synonyms 116-benzhydryl-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[112.2.2]octadecahectan-115-amine
InChi InChI=1S/C140H256N2O/c1-3-132-125-126-137(143-2)136(130-132)131-141-139-135-124-114-110-108-106-104-102-100-98-96-94-92-90-88-86-84-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-83-85-87-89-91-93-95-97-99-101-103-105-107-109-111-119-128-142(129-127-135)140(139)138(133-120-115-112-116-121-133)134-122-117-113-118-123-134/h112-113,115-118,120-123,125-126,130,135,138-141H,3-111,114,119,124,127-129,131H2,1-2H3
InChiKey YPAPVMBFIBNTDX-UHFFFAOYSA-N
Formula C140H256N2O Molecular Weight 1983.54
Cross Link
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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